2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide

C11H13N3O2S — CID 115259923

IUPAC2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide
SMILESNC(=O)CNCc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H13N3O2S/c12-10(15)5-13-4-7-1-2-9-8(3-7)14-11(16)6-17-9/h1-3,13H,4-6H2,(H2,12,15)(H,14,16)
InChIKeyJPTUUPJQOUITLX-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.31
Rot. Bonds4

About 2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide

2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide (PubChem CID 115259923) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide
PubChem CID115259923
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide
SMILESNC(=O)CNCc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H13N3O2S/c12-10(15)5-13-4-7-1-2-9-8(3-7)14-11(16)6-17-9/h1-3,13H,4-6H2,(H2,12,15)(H,14,16)
InChIKeyJPTUUPJQOUITLX-UHFFFAOYSA-N
XLogP0.31
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-aminoethylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115195329
1-amino-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115192676
6-[(3-aminopropylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115197218
6-[(2-aminopropylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115196564
6-[(2,3-dihydroxypropylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115122131
methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784769
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 110784725
2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 115152395
6-[(propan-2-ylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 82476497
1-methyl-1-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115168419
benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784771
2-(2-fluorophenyl)-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]acetamide
CID 110784785

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide?
The IUPAC name of 2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide (CID 115259923) is 2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide.
What is the SMILES notation for 2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide?
The canonical SMILES for 2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide is NC(=O)CNCc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide?
The InChIKey is JPTUUPJQOUITLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c12-10(15)5-13-4-7-1-2-9-8(3-7)14-11(16)6-17-9/h1-3,13H,4-6H2,(H2,12,15)(H,14,16).
What are the key properties of 2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide?
2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide has a molecular weight of 251.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide is sourced from PubChem (CID 115259923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).